The Journal of Chemical Physics

Paper

01 Jan 1982

Relativistic effects on R_e and D_e in AgH and AuH from all-electron Dirac-Hartree-Fock calculations

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Abstract

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Paper

Theoretical Investigations of the Anaerobic Reduction of Halogenated Alkanes by Cytochrome P450. 1. Structures, Inversion Barriers, and Heats of Formation of Halomethyl Radicals

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Calculations of H₂O microwave line broadening in collisions with He atoms: Sensitivity to potential energy surfaces

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Theoretical investigation of the anaerobic reduction of halogenated alkanes by cytochrome P-450. 2. Vertical electron affinities of chlorofluoromethanes as a measure of their activity

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Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

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The Journal of Chemical Physics

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